SCHEMBL7328152

SCHEMBL7328152

O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
GABRA1 P14867 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRG2 P18507 2/20 0.57
GABRB3 P28472 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRA3 P34903 2/20 0.57
GABRA2 P47869 2/20 0.57
GABRB2 P47870 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRE P78334 2/20 0.57
GABRA6 Q16445 2/20 0.57
GABRG1 Q8N1C3 2/20 0.57
GABRG3 Q99928 2/20 0.57
GABRQ Q9UN88 2/20 0.57
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7324248 0.87 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7330681 0.83 KDM4E (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11538033 0.80 SMN1; SMN2 (0.69) MAPTSMN1; SMN2KDM4ECYP1A2GAA
SCHEMBL31048907 0.80 SMN1; SMN2 (0.69) MAPTSMN1; SMN2KDM4ECYP1A2GAA
SCHEMBL10813064 0.79 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24499421 0.79 NPC1 (0.59) MAPTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL19268077 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8482804 0.78 KDM4E (0.64) MAPTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL11452911 0.77 MAPT (0.63) MAPTSMN1; SMN2KDM4ECYP1A2GAA
SCHEMBL11626329 0.76 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed